Announcements

  • Molpro User Notes

    Molpro is a comprehensive toolkit for ab initio electronic structure calculations. See https://www.molpro.net/ for more details.We have built Molpro 2022.1.1 using Global Arrays with the MPI-PR option. This means that your Molpro job will actually run with one less task per node … Read More

  • LCRC News and Notes for December 2021

    Hello! Below we have outlined a few important notes regarding the LCRC systems including the upcoming holiday schedule. If you have any questions, please email support at lcrc.anl.gov. Thanks for another great year and happy holidays! Maintenance on Monday, December 13, 2021 We will … Read More

  • November 2021 Maintenance Day Moved for Power Outage

    LCRC Users, We are moving November’s monthly maintenance in LCRC due to an upcoming building and datacenter power outage starting end of day Friday, November 19th, 2021. To prepare for this, we will need to shut down all LCRC resources on Friday, November 19th around … Read More

  • FY22 Quarter 1 LCRC Allocations Approved

    LCRC Users, LCRC projects have been approved for allocations for FY22 Quarter 1 (starting today, 10/1/2021) on Bebop, Blues and Swing. If your project requested time and was approved for Quarter 1, you can check the project balance by running the following command on any … Read More

  • Quantum Espresso 6.8 on Bebop and Swing.

    Version 6.8 of Quantum Espresso has been benchmarked on Bebop on the Broadwell, Knights Landing, and Swing.  These builds can be found in subfolders of /soft/espresso/6.8/{bdw,knl-omp, and swing}.  There are sample bash scripts in the /soft/espresso/6.8/{bdw,knl-omp, and swing}/examples folders which can be submitted as batch … Read More

  • User Notes for Quantum Espresso on Swing

    We have built Quantum Espresso (QE) 6.8 optimized for the A100s on Swing. The binaries are installed in /soft/espresso/6.8/swing/bin. Note that only pw.x is optimized for swing. We observe speedups ranging from a factor of 6 to a factor of 2 for models containing hundreds … Read More

  • July 2021 Maintenance Day Moved for Power Outage

    LCRC Users, We are moving the July 2021 monthly maintenance in LCRC due to an upcoming building and datacenter power outage on Monday, July 19th. To prepare for this, we will need to shut down the LCRC resources on Sunday, July 18th at noon Central … Read More

  • Retiring Blues GPU Nodes on August 1, 2021

    LCRC Users, We will soon be retiring what is left of the Blues GPU nodes in the ‘biggpu’ queue. These nodes are slated to be turned off on August 1, 2021. These nodes and cards are very old now and vendor support for them has … Read More

  • How to use VASP 6.2.0 on swing.

    We have built the open_acc version of VASP.6.2 for swing. You will generatlly find your calculations will run several times faster on GPUs than on a broadwell node. The speedup you get will depend on the size of your model and the values of KPAR … Read More

  • LCRC Swing GPU Cluster Now Available

    LCRC Users, LCRC is opening up the Swing GPU cluster for general access starting now! LCRC users now have access to 6x nodes with 8x NVIDIA A100 40GB GPUs each. Full details in the links below. Information about running jobs on Swing is available here: … Read More

Announcements Sidebar